139954 <common-name>APPD</common-name> <description>APPD belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C39H50F3N7O13. With an average molecular weight of 881.86 g/mol, APPD is a heavy molecule.</description> <cas>2364414-26-4</cas> <pubchem-id>162395534</pubchem-id> <chemical-formula>C39H50F3N7O13</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-14T22:20:27Z</created-at> <updated-at type="dateTime">2026-05-14T20:08:52Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB18603</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@]1(O[C@@H]([C@H](NCCCC(=O)NCC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)C(N)=O)[C@@]2([H])O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)O[C@H](CN)[C@@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C39H50F3N7O13</moldb-formula> <moldb-inchi>InChI=1S/C39H50F3N7O13/c40-39(41,42)62-24-9-7-22(8-10-24)58-23-11-15-48(16-12-23)21-5-3-20(4-6-21)19-46-26(50)2-1-14-45-28(35(44)56)33(61-37-32(55)29(52)25(18-43)59-37)34-30(53)31(54)36(60-34)49-17-13-27(51)47-38(49)57/h3-10,13,17,23,25,28-34,36-37,45,52-55H,1-2,11-12,14-16,18-19,43H2,(H2,44,56)(H,46,50)(H,47,51,57)/t25-,28+,29-,30-,31-,32+,33+,34-,36-,37+/m1/s1</moldb-inchi> <moldb-inchikey>XXRKRPJUCVNNCH-AMFJOBICSA-N</moldb-inchikey> <moldb-average-mass type="decimal">881.86</moldb-average-mass> <moldb-mono-mass type="decimal">881.341869187</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM135847</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carbamoyl-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}-N-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenyl)methyl]butanamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Piperidines</klass> <subklass>Phenylpiperidines</subklass> <paper-count type="integer">464</paper-count> <sync-id>CED0011410</sync-id> 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